Cyclo(beta-alanyl-4-methyl-2-hydroxypentanoylleucyl-4-methyl-2-hydroxypentanoyl-N-methylphenylalanyl)
[CAS# 128140-12-5]

Identification

• Name: Cyclo(beta-alanyl-4-methyl-2-hydroxypentanoylleucyl-4-methyl-2-hydroxypentanoyl-N-methylphenylalanyl)
• Synonyms: (2S)-N-[(1S)-1-[(2S)-2-Amino-4-Methyl-Pentanoyl]-2-(3-Aminopropanoyl)-1-Formyl-4-Hydroxy-6-Methyl-3-Oxo-2-Phenyl-Heptyl]-2-Hydroxy-N,4-Dimethyl-Pent-4-Enamide; (2S)-N-[(1S)-1-[(2S)-2-Amino-4-Methyl-1-Oxopentyl]-2-(3-Amino-1-Oxopropyl)-1-Formyl-4-Hydroxy-6-Methyl-3-Oxo-2-Phenylheptyl]-2-Hydroxy-N,4-Dimethylpent-4-Enamide; (2S)-N-[(1S)-1-[(2S)-2-Amino-4-Methyl-Pentanoyl]-2-(3-Aminopropanoyl)-1-Formyl-4-Hydroxy-3-Keto-6-Methyl-2-Phenyl-Heptyl]-2-Hydroxy-N,4-Dimethyl-Pent-4-Enamide
• Molecular Formula: C₃₁H₄₇N₃O₇
• Molecular Weight: 573.73
• CAS Registry Number: 128140-12-5
• SMILES: [C@@](C=O)(N(C)C([C@H](CC(=C)C)O)=O)(C(C1=CC=CC=C1)(C(C(CC(C)C)O)=O)C(CCN)=O)C([C@@H](N)CC(C)C)=O
• InChI: 1S/C31H47N3O7/c1-19(2)15-23(33)27(39)30(18-35,34(7)29(41)25(37)17-21(5)6)31(26(38)13-14-32,22-11-9-8-10-12-22)28(40)24(36)16-20(3)4/h8-12,18-20,23-25,36-37H,5,13-17,32-33H2,1-4,6-7H3/t23-,24?,25-,30-,31?/m0/s1
• InChIKey: ZPYMSTAWPQJBRU-DJQJIUKYSA-N

Properties

• Density: 1.159g/cm³ (Cal.)
• Boiling point: 724.546°C at 760 mmHg (Cal.)
• Flash point: 391.991°C (Cal.)